UCSF

ZINC37854742

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 16 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.44 -3.52 -38.62 4 5 1 70 233.332 7
Hi High (pH 8-9.5) -0.44 -4.86 -5.99 3 5 0 65 232.324 7
Mid Mid (pH 6-8) -0.44 -1.24 -102.64 5 5 2 71 234.34 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )